Isoalloalantolactone
TL;DR: Isoalloalantolactone (CAS 64395-76-2) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Also Known As: Isoalloalantolactone, (+)-Isoalloalantolactone, Isoalloalantolactone - Inula helenium (elecampane), (3aR,4aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one, (3aR,4aS,8aR,9aR)-5,8a-Dimethyl-3-methylene-3a,4,4a,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 64395-76-2 |
|---|---|
| SMILES | CC1=CCC[C@]2([C@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C)C |
| InChIKey | PQRAHHQIYITFCT-QVHKTLOISA-N |
Product Overview
Isoalloalantolactone (CAS 64395-76-2), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: (3aR,4aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one.
Chemical Property Profile of Isoalloalantolactone
Property Insights of Isoalloalantolactone
The XLogP value of 3.2 indicates that Isoalloalantolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isoalloalantolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoalloalantolactone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoalloalantolactone?
The CAS number of Isoalloalantolactone is 64395-76-2.
What is the molecular formula of Isoalloalantolactone?
The molecular formula of Isoalloalantolactone is C15H20O2.
What is the molecular weight of Isoalloalantolactone?
The molecular weight of Isoalloalantolactone is 232.15 g/mol.
Where can I buy Isoalloalantolactone?
You can request a quote for Isoalloalantolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoalloalantolactone?
Yes, KEHONG BIO provides custom synthesis services for Isoalloalantolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.